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Concept information

organooxygen compound > ether > cyclic ether > obochalcolactone

Preferred term

obochalcolactone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C34H30O7

inchi

  • InChI=1S/C34H30O7/c35-27(15-14-22-8-3-1-4-9-22)32-29(37)20-28(36)31-24-18-26(19-25-12-7-13-30(38)39-25)40-34(21-24,41-33(31)32)17-16-23-10-5-2-6-11-23/h1-11,13-17,20,24-26,36-37H,12,18-19,21H2/b15-14+,17-16+/t24-,25+,26-,34-/m0/s1

inchikey

  • PRJFEGMPMYRWIX-MXIXYQCPSA-N

mass

  • 550.59780

monoisotopicmass

  • 550.19915

smiles

  • [H][C@@]1(CC=CC(=O)O1)C[C@@H]1C[C@@]2([H])C[C@@](O1)(Oc1c(C(=O)/C=C/c3ccccc3)c(O)cc(O)c21)/C=C/c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (6R)-6-({(2R,4S,6S)-7,9-dihydroxy-2-[(E)-2-phenylethenyl]-10-[(2E)-3-phenylprop-2-enoyl]-5,6-dihydro-4H-2,6-methano-1,3-benzodioxocin-4-yl}methyl)-5,6-dihydro-2H-pyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66802

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